SCHEMBL21735561

SCHEMBL21735561

OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SIGMAR1 Q99720 4/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC16A3 O15427 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BCHE P06276 4/20 0.39
CNR1 P21554 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22625280 0.87 NPC1 (0.59) CA12CA1CA9NPC1RAB9A
SCHEMBL21735560 0.84 THRB (0.43) CA12CA1CA9NPC1RAB9A
SCHEMBL21734960 0.83 NPC1 (0.42) NPC1RAB9ASIGMAR1S1PR1S1PR3
SCHEMBL21735219 0.83 CA12 (0.45) CA12CA1CA9NPC1RAB9A
SCHEMBL21735390 0.80 THRB (0.39) CA12CA1CA9NPC1RAB9A
SCHEMBL22625230 0.78 NPC1 (0.58) NPC1RAB9AKDM4EALDH1A1GLA
SCHEMBL26292129 0.77 NPC1 (0.52) CA12CA1CA9NPC1RAB9A
SCHEMBL21735604 0.76 ESR1 (0.44) CA1ALDH1A1RECQLHDAC6
SCHEMBL20473154 0.75 CA12 (0.47) CA12CA1CA9NPC1RAB9A
SCHEMBL21735701 0.75 KMT2A (0.42) KDM4EALDH1A1HPGDRECQLSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 CA12 4205/4885CA1 4738/4885CA9 2728/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CA12 4205/4885CA1 4738/4885CA9 2728/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.